⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1754099 | 0.84 | SLC6A3 (0.36) | — | |
| SCHEMBL19507050 | 0.83 | SLC6A3 (0.33) | — | |
| SCHEMBL20932946 | 0.80 | MLYCD (0.31) | — | |
| SCHEMBL15491904 | 0.80 | PDPK1 (0.30) | — | |
| SCHEMBL20047519 | 0.78 | — | — | |
| SCHEMBL18179469 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL22868188 | 0.77 | — | — | |
| SCHEMBL126808 | 0.76 | NOS1 (0.43) | — | |
| SCHEMBL18760827 | 0.75 | — | — | |
| SCHEMBL22010720 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210009555-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2021-01-14 | — | — | US | disclosed |
| US-20190119241-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2019-04-25 | — | — | US | disclosed |
| US-9951043-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| US-9951043-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| US-20170305902-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-10-26 | — | — | US | disclosed |
| US-20170305902-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-10-26 | — | — | US | disclosed |
| US-20140303164-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2014-10-09 | — | — | US | disclosed |